Crystallography Open Database

Information card for entry 4088248

Preview

Coordinates	4088248.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H43 Cl7 N2 Ru Si2
Calculated formula	C32 H43 Cl7 N2 Ru Si2
SMILES	[RuH]1234([Si](Cl)(Cl)Cl)([Si](Cl)(Cl)Cl)(Cl)[cH]5[cH]1[cH]2[cH]3[cH]45.n1(c[n+](cc1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Half-Sandwich Silane σ-Complexes of Ruthenium Supported by NHC Carbene
Authors of publication	Mai, Van Hung; Korobkov, Ilia; Nikonov, Georgii I.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	7
Pages of publication	936
a	11.2074 ± 0.0004 Å
b	11.2257 ± 0.0004 Å
c	18.4143 ± 0.0006 Å
α	83.216 ± 0.0015°
β	88.0443 ± 0.0015°
γ	60.9801 ± 0.0013°
Cell volume	2010.96 ± 0.12 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237411 (current)	2019-11-24	cif/ Adding structures of 4088248 via cif-deposit CGI script.	4088248.cif